(2S)-1-(azepan-1-yl)-2-(1,3-benzodioxol-5-yloxy)propan-1-one

Systemtic Name: (2S)-1-(azepan-1-yl)-2-(1,3-benzodioxol-5-yloxy)propan-1-one Openeye Name: (2S)-1-(azepan-1-yl)-2-(1,3-benzodioxol-5-yloxy)propan-1-one CAS Name: (2S)-1-(1-azepanyl)-2-(1,3-benzodioxol-5-yloxy)-1-propanone IUPAC Name: (2S)-1-(azepan-1-yl)-2-(1,3-benzodioxol-5-yloxy)propan-1-one Traditional Name: (2S)-1-(azepan-1-yl)-2-(1,3-benzodioxol-5-yloxy)propan-1-one Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@@H](C(=O)N1CCCCCC1)OC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H21NO4/c1-12(16(18)17-8-4-2-3-5-9-17)21-13-6-7-14-15(10-13)20-11-19-14/h6-7,10,12H,2-5,8-9,11H2,1H3/t12-/m0/s1